Mol:FL3FACNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2868 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACNI0003 | + | ID FL3FACNI0003 |
| − | KNApSAcK_ID C00013419 | + | KNApSAcK_ID C00013419 |
| − | NAME Gancaonin O;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Gancaonin O;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 129145-53-5 | + | CAS_RN 129145-53-5 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES C(c(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)C=C(C)C | + | SMILES C(c(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
13 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL3FACNI0003
KNApSAcK_ID C00013419
NAME Gancaonin O;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 129145-53-5
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES C(c(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)C=C(C)C
M END
